REMARK  Name = BDB007797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.911  -1.047  -1.892  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.648  -0.261  -1.018  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -1.312  -0.038  -0.771  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.947  -0.858  -1.838  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.774   0.368  -0.349  0.00  0.00    +0.086 A 
ATOM      6  C   LIG    1       -5.063   0.301  -0.971  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -6.114   1.029  -0.490  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -7.361   0.969  -1.108  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -7.529   0.175  -2.205  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.486  -0.564  -2.710  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.970   1.840   0.596  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -4.766   1.905   1.184  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.244  -0.487  -2.070  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.645   1.190   0.751  0.00  0.00    +0.130 A 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.500   1.329   1.436  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1       -1.634   1.121   1.605  0.00  0.00    +0.292 HD
ENDBRANCH  14  15
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.027   0.176  -0.534  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.832  -1.036  -0.102  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.345  -1.571   1.069  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.241  -0.896   1.543  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.253  -0.590  -0.104  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.203  -1.593   0.133  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.528  -1.226  -0.420  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.110  -0.191   0.506  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.876  -0.330   1.862  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        5.419   0.616   2.698  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.172   1.667   2.194  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.392   1.792   0.847  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.082  -1.421   2.451  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.847   0.842  -0.002  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.326  -2.194   1.404  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7